Publications of K. Fidanyan

Litman, Y.; Kapil, V.; Feldman, Y. M. Y.; Tisi, D.; Begušić, T.; Fidanyan, K.; Fraux, G.; Higer, J.; Kellner, M.; Li, T. E. et al.; Pós, E. S.; Stocco, E.; Trenins, G.; Hirshberg, B.; Rossi, M.; Ceriotti, M.: i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations. The Journal of Chemical Physics 161 (6), 062504 (2024)

Jacobs, M.; Fidanyan, K.; Rossi, M.; Cocchi, C.: Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface. Electronic Structure 6 (2), 025006 (2024)

Fidanyan, K.; Liu, G.; Rossi, M.: Ab initio study of water dissociation on a charged Pd(111) surface. The Journal of Chemical Physics 158 (9), 094707 (2023)

Fidanyan, K.; Hamada, I.; Rossi, M.: Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111). Advanced Theory and Simulations 4 (4), 2000241 (2021)

Fidanyan, K.: Theoretical investigations of nuclear quantum effects in weakly bonded metal-molecular interfaces. Dissertation, 179 pp., Humboldt-Universität zu Berlin, Berlin (2023)

Rossi, M.; Akkoush, A.; Fidanyan, K.; Krynski, M.; Lewis, A.; Litman, Y.; Maksimov, D.; Pós, E. S.; Raimbault, N.; Wang, H.: Overcoming barriers in nuclear dynamics with first principles electronic structure methods, High Performance Computing and Data Science in the Max Planck Society, (2021)